2,2-difluorohex-5-yne-1,1-diamine

C6H10F2N2 — CID 88665682

IUPAC2,2-difluorohex-5-yne-1,1-diamine
SMILESC#CCCC(F)(F)C(N)N
InChIInChI=1S/C6H10F2N2/c1-2-3-4-6(7,8)5(9)10/h1,5H,3-4,9-10H2
InChIKeyWTEFSRJTOQUYGP-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.28
Rot. Bonds3

About 2,2-difluorohex-5-yne-1,1-diamine

2,2-difluorohex-5-yne-1,1-diamine (PubChem CID 88665682) has the molecular formula C6H10F2N2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2,2-difluorohex-5-yne-1,1-diamine.

Molecular Properties

Compound Name2,2-difluorohex-5-yne-1,1-diamine
PubChem CID88665682
Molecular FormulaC6H10F2N2
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name2,2-difluorohex-5-yne-1,1-diamine
SMILESC#CCCC(F)(F)C(N)N
InChIInChI=1S/C6H10F2N2/c1-2-3-4-6(7,8)5(9)10/h1,5H,3-4,9-10H2
InChIKeyWTEFSRJTOQUYGP-UHFFFAOYSA-N
XLogP0.28
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluorohex-5-yne-1,1-diamine?
The IUPAC name of 2,2-difluorohex-5-yne-1,1-diamine (CID 88665682) is 2,2-difluorohex-5-yne-1,1-diamine.
What is the SMILES notation for 2,2-difluorohex-5-yne-1,1-diamine?
The canonical SMILES for 2,2-difluorohex-5-yne-1,1-diamine is C#CCCC(F)(F)C(N)N.
What is the InChIKey of 2,2-difluorohex-5-yne-1,1-diamine?
The InChIKey is WTEFSRJTOQUYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2/c1-2-3-4-6(7,8)5(9)10/h1,5H,3-4,9-10H2.
What are the key properties of 2,2-difluorohex-5-yne-1,1-diamine?
2,2-difluorohex-5-yne-1,1-diamine has a molecular weight of 148.16 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorohex-5-yne-1,1-diamine is sourced from PubChem (CID 88665682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).